>compound D-Mannitol
>formula C6H14O6
>parentmass 183.086067259267
>charge 1

>ms1peaks
43.0196983767658 0.893622
57.0344752759975 0.701017
61.0281388202776 1.37216
69.0340765172938 13.7332
83.0490275746628 0.964766
85.030619297552 1.20686
87.0442825478367 1.67231
91.0432563272723 0.857648
96.9734457565185 1.14526
97.9690078449892 0.995926
99.0444336448156 4.80591
101.058419596331 0.79641
103.039303288318 0.630068
111.044617934969 3.98884
117.053609451564 0.509625
129.054354094795 13.619
137.965476610362 0.510934
140.962039396122 6.76048
140.9936572868 2.6856
141.958887367128 9.09511
142.023556617676 0.637823
147.065053443909 18.3975
152.477437695094 0.839419
152.974961120947 0.782308
165.07556404687 29.8233
182.002586728278 5.89233
182.989125075102 7.85841
183.086067259267 100.0
183.248934565379 0.99045
183.343635493379 0.779348
183.462831551832 0.529457
183.504497019495 0.513599
183.800008887256 0.655069

>collision 10.0
29.0384025320647 0.561762
43.0195910136005 8.47803
43.0542719137146 1.10519
45.0350989180157 3.23895
53.0389612004946 1.19193
55.0191553921506 4.16546
55.0556901218356 5.57198
55.9459878177273 1.07603
56.9439525306632 1.47068
57.0344471633992 15.9044
61.0298045470133 9.53279
69.0342259932297 100.0
69.1101284390794 2.06515
69.1295727975916 1.01855
69.1553447611389 0.91142
69.2143542754239 0.618287
71.0485156235925 4.43071
73.0292815757502 4.66258
73.0635306585183 0.678863
75.0418507433309 0.791432
81.032963148725 4.07647
83.0497993435618 24.6503
84.936145263645 0.799743
85.0288892209423 13.6603
87.0440760817056 13.4885
91.0398130482262 3.13622
96.9715246051554 14.166
97.968961289447 24.9563
98.0180147210383 1.02812
98.0599443655302 0.543481
99.0037319736304 0.549943
99.0441524117068 19.7113
99.9363504000521 1.38264
100.930553078354 0.792972
101.061135394189 0.648116
102.007096926028 0.732197
103.038221777176 6.13929
108.98543827466 0.913352
111.044507094762 24.3015
111.105873840823 0.678472
117.051409940472 1.38421
120.990633449368 0.877914
125.965788501446 0.954611
129.054611159923 30.1178
137.962315704718 2.43546
138.995812721995 2.21162
140.970512724485 17.9499
141.958566954559 14.3007
147.063722134424 20.7572
147.586779488341 0.77564
165.075342526247 4.62741
171.0161599469 0.602449
173.014529184289 0.632034
182.963718217557 0.568134
183.0081660777 1.21117
183.088050498484 2.06047

>collision 20.0
29.0382462536201 2.46256
41.0394450438052 6.4768
42.0351058996029 0.925216
43.0187525393195 15.3971
43.0566307058385 2.77371
45.0341970877047 8.10952
53.040818668317 4.11982
55.0185009035072 6.14931
55.0555682350222 20.795
55.1227864385451 0.545905
55.9467354197545 7.43826
56.9425531064154 11.9081
57.0344744221077 28.4791
59.049590350046 1.36799
61.0292649347178 25.6418
68.9930250962271 0.694748
69.0338765488109 100.0
69.1323516512354 0.903053
69.167240407561 0.728148
69.2281847526262 0.789016
69.2774235165698 0.668645
69.3993300216018 0.711609
71.0500295962386 4.62909
73.0275524002116 4.51769
78.9954547862602 0.54594
81.0343567184285 5.77996
83.0496067552193 18.0212
85.029201436465 19.5195
87.002803454254 0.523226
87.0457081215444 6.47939
91.0403881081331 0.814682
92.9792392542515 0.687933
93.0343735571345 0.558622
93.9747574690053 1.51186
96.9716989994766 13.134
97.9690750616162 23.3575
98.0408361377556 0.634999
98.1818640843883 0.558485
99.0441958965984 10.8085
99.9348452073275 12.1623
100.932711647293 3.63471
101.012606608216 0.763166
103.038328222526 3.35131
111.045715781782 3.87081
117.061078737195 0.62012
120.988115092874 0.98707
122.977123128956 3.27362
125.970204286802 1.46734
127.007675834323 0.581031
129.052439814723 2.80236
134.929964026675 0.663026
137.966300409954 0.909414
139.000903467258 2.16595
140.9933707385 4.93202
141.997502183334 0.738296
147.06009184258 0.923411
176.983098624498 0.518249

>collision 40.0
29.0019136035667 2.14085
29.0396819412995 6.54715
31.0172932657925 3.67557
39.023166287754 13.5252
41.0390872964924 32.2035
41.1239885430655 1.14546
41.5758799656914 1.19269
43.0190374456277 64.3383
43.0527812031076 10.1427
44.9804676662435 1.72224
45.0334756792186 25.3037
45.9871505580686 4.71935
46.9968382878111 3.17979
51.9430403090161 1.48891
52.9476335301586 2.67459
53.0398930717603 24.1369
54.9385733634893 1.9758
55.0181448616426 8.1057
55.0547323615441 30.4262
55.9456060360327 59.3394
55.9892642445277 1.60328
56.0063633578452 1.08413
56.035852578495 1.39229
56.9430658433753 60.0164
57.034821585985 37.8203
57.3770840643852 1.21242
61.0193476738171 6.41243
62.9824788063723 4.92546
63.9967961368211 2.92541
65.0392758698235 2.1907
67.0539333725772 1.8735
67.9344088185463 4.75482
69.03434287386 100.0
69.1108981700248 2.36073
69.9660177632518 2.72348
71.0480688334717 1.4025
71.9419392328666 3.93678
72.9385807846186 8.30892
73.0264449454951 5.55109
76.928351894364 1.06892
76.9642543261328 1.2862
78.9578640537606 5.68192
78.9971866521595 3.38497
81.0363242538941 2.89972
83.0056891182688 1.04739
83.9404383153286 1.29242
85.0264884109355 14.3033
90.9772139507309 2.02988
92.9709203873535 1.69387
96.9339384217611 3.33009
96.9802516073514 2.12976
97.9671082445119 2.65345
99.9336769632577 6.36328
100.930526952107 1.93615
101.997718508049 2.06744
104.007292145775 1.26073
105.96210598565 3.11506
106.949353142688 1.36219
107.963743427233 3.75997
110.995492021488 1.25947
120.96073394321 1.8238
121.947137226553 1.32613
122.949961962125 9.68349

